Geometry & MOs

Info

ID:	56681
PubChem CID:	21317895
Reduced:	NPSO4C10H14 (1)
Stoich.:	ABCD4E10F14 (1)
Weight, g/mol:	167.040485
ΔH_f, kcal/mol:	-192.0
Dipole, Da:	3.95
IP(EA), eV:	-9.23(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-hydroxy-5-propylthiophene-2-carbonitrile

Drug info:

PubChemData

Smile

CCCC1=CC(=C(S1)C#N)OP(=O)(OC)OC

DOS

IR

Vibrations